input word = C00007650

Metabolite InformationStructural formula
Name 2-(7'-Methylthio)heptylmalic acid
Formula C12H22O5S
Mw 278.11879454
CAS RN
C_ID C00007650 ,
InChIKey PWAKELUEEHWVFQ-UHFFFAOYNA-N
InChICode InChI=1S/C12H22O5S/c1-18-8-6-4-2-3-5-7-12(17,11(15)16)9-10(13)14/h17H,2-9H2,1H3,(H,13,14)(H,15,16)/t12-/m0/s1
SMILES C(CCC[C@@](CC(=O)O)(O)C(=O)O)CCCSC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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